HRID111121

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID68467642

未命名化合物

HCID178432230

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2cc(C(=O)Nc3ccc(N4CCC(CN5CCCC5C)C4)cc3C)ccc2[nH]1

HCID178432227

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa88a4f7625b43d08623037ada6ac7f7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][c:2]1[c:3]([NH2:20])[cH:4][cH:5][c:6]([N:8]2[CH2:9][CH:10]([CH2:13][N:14]3[CH:15]([CH3:19])[CH2:16][CH2:17][CH2:18]3)[CH2:11][CH2:12]2)[cH:7]1.[CH3:21][c:22]1[n:23][c:24]2[c:25]([nH:26]1)[cH:27][cH:28][c:29]([C:31](=[O:32])[OH:33])[cH:30]2.[CH3:34][N:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1.[CH3:51][N:52]([CH3:53])[CH2:54][CH2:55][CH2:56][N:57]=[C:58]=[N:59][CH2:60][CH3:61].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[Cl:62][CH2:63][Cl:64].[OH:41][n:42]1[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[CH3:1][c:2]1[c:3]([NH:20][C:31]([c:29]2[cH:28][cH:27][c:25]3[c:24]([n:23][c:22]([CH3:21])[nH:26]3)[cH:30]2)=[O:32])[cH:4][cH:5][c:6]([N:8]2[CH2:9][CH:10]([CH2:13][N:14]3[CH:15]([CH3:19])[CH2:16][CH2:17][CH2:18]3)[CH2:11][CH2:12]2)[cH:7]1